Geometry & MOs

Info

ID:

329036

PubChem CID:

126730728

Reduced:

N7H33C55 (1)

Stoich.:

A7B33C55 (1)

Weight, g/mol:

665.257946

ΔHf, kcal/mol:

354.33

Dipole, Da:

7.74

IP(EA), eV:

 -8.0(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-diphenylpyrimidin-4-yl)-5-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=CC(=C(C=C7)C8=NC(=NC(=C8)C9=CC=C(C=C9)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations